Author(s):
Sonal P. Kumbhar, Pratiksha A. Satpute, Akash Thombare, Shalini Shinde, N. B. Chougule
Email(s):
sonalkumbhar05@gmail.com , pratikshasatpute22@gmail.com
DOI:
10.52711/2231-5691.2025.00020 
Address:
Sonal P. Kumbhar1, Pratiksha A. Satpute2, Akash Thombare1, Shalini Shinde1, N. B. Chougule3
1Assistant Professor, Ashokrao Mane Institute of Pharmacy, Ambap, 416112.
2Student, Ashokrao Mane Institute of Pharmacy, Ambap. 416112.
3Principal5, Ashokrao Mane Institute of Pharmacy, Ambap. 416112.
2Assistant Professor, Womens College of Pharmacy, Peth-Vadgaon 416112.
*Corresponding Author
Published In:
Volume - 15,
Issue - 2,
Year - 2025
ABSTRACT:
Utilising docking of molecules and ADMET research, this investigation explores the possibility of Nigella sativa, or black seed, as a treatment for osteoporosis. Osteoporosis is a huge global public health concern since it considerably raises the menace of fractures and causes a diminution in bone density. Despite existing treatments, there remains a need for novel therapeutic agents with improved efficacy and safety profiles. Nigella sativa, renowned for its diverse pharmacological properties, emerges as a promising candidate for osteoporosis management. Through molecular docking analysis, the interaction between bioactive compounds present in Nigella sativa and key osteoporosis-related targets, like activator ofkappa-? ligand receptor and osteoprotegerin was explored. The results reveal potential binding affinities and binding modes, suggesting the ability of Nigella sativa constituents to modulate osteoporosis-related pathways. Additionally, ADMET predictions provide valuable insights into the pharmacokinetic and toxicity profiles of Nigella sativa compounds.
Cite this article:
Sonal P. Kumbhar, Pratiksha A. Satpute, Akash Thombare, Shalini Shinde, N. B. Chougule. Molecular Docking and Admet Studies of Nigella sativa Plant against Osteoporosis. Asian Journal of Pharmaceutical Research. 2025; 15(2):121-6. doi: 10.52711/2231-5691.2025.00020
Cite(Electronic):
Sonal P. Kumbhar, Pratiksha A. Satpute, Akash Thombare, Shalini Shinde, N. B. Chougule. Molecular Docking and Admet Studies of Nigella sativa Plant against Osteoporosis. Asian Journal of Pharmaceutical Research. 2025; 15(2):121-6. doi: 10.52711/2231-5691.2025.00020 Available on: https://asianjpr.com/AbstractView.aspx?PID=2025-15-2-5
REFERANCES:
1. Panel NC. Osteoporosis prevention, diagnosis, and therapy. Jama. 2001; 285:785-95.
2. Albright F, BURNETT CH, Cope O, Parson W. Acute atrophy of bone (osteoporosis) simulating hyperparathyroidism. The Journal of Clinical Endocrinology. 1941 Sep 1;1(9):711-6.
3. Cooper C, Campion G, Melton L3. Hip fractures in the elderly: a world-wide projection. Osteoporosis International. 1992 Nov;2:285-9.
4. Reginster JY, Burlet N. Osteoporosis: a still increasing prevalence. Bone. 2006 Feb 1; 38(2): 4-9.
5. Wright NC, Looker AC, Saag KG, Curtis JR, Delzell ES, Randall S, Dawson‐Hughes B. The recent prevalence of osteoporosis and low bone mass in the United States based on bone mineral density at the femoral neck or lumbar spine. Journal of Bone and Mineral Research. 2014 Nov 1; 29(11): 2520-6.
6. Watts NB, Bilezikian JP, Camacho PM, Greenspan SL, Harris ST, Hodgson SF, Kleerekoper M, Luckey MM, McClung MR, Pollack RP, Petak SM. American Association of Clinical Endocrinologists Medical Guidelines for Clinical Practice for the diagnosis and treatment of postmenopausal osteoporosis: executive summary of recommendations. Endocrine Practice: Official Journal of the American College of Endocrinology and the American Association of Clinical Endocrinologists. 2010 Nov; 16(6):1016.
7. Kaplan FS. Prevention and management of osteoporosis. InClinical Symposia (Summit, NJ: 1957) 1995 Jan 1 (Vol. 47, No. 1, pp. 2-32).
8. Glaser DL, Kaplan FS. Osteoporosis: Definition and Clinical Presentation. Spine. 1997 Dec 15; 22(24):12S-6S.
9. Grisso JA, Kelsey JL, Strom BL, Ghiu GY, Maislin G, O'Brien LA, Hoffman S, Kaplan F. Risk factors for falls as a cause of hip fracture in women. New England Journal of Medicine. 1991 May 9; 324(19): 1326-31.
10. Thorngren KG. Fractures in the elderly. Acta Orthopaedica Scandinavica. 1995 Jan 1; 66(sup266):208-10.
11. Melton III LJ, Riggs BL. Risk factors for injury after a fall. Clinics in Geriatric Medicine. 1985 Aug 1; 1(3): 525-39.
12. Northridge ME, Nevitt MC, Kelsey JL. Non-syncopal falls in the elderly in relation to home environments. Osteoporosis International. 1996 May; 6: 249-55.
13. Tinetti ME, Baker DI, McAvay G, Claus EB, Garrett P, Gottschalk M, Koch ML, Trainor K, Horwitz RI. A multifactorial intervention to reduce the risk of falling among elderly people living in the community. New England Journal of Medicine. 1994 Sep 29; 331(13): 821-7.
14. ME T. Prevention of falls among the elderly. N Engl J Med. 1989; 320: 1055-9.
15. Hui SL, Slemenda CW, Johnston CC. Age and bone mass as predictors of fracture in a prospective study. The Journal of Clinical Investigation. 1988 Jun 1; 81(6): 1804-9.
16. Cummings SR, Melton LJ. Epidemiology and outcomes of osteoporotic fractures. The Lancet. 2002 May 18; 359(9319): 1761-7.
17. Melton III LJ, Cooper C. Magnitude and impact of osteoporosis and fractures. Inosteoporosis. 2001 Jan 1 (pp. 557-567). Academic Press.
18. Gullberg B, Johnell O, Kanis J. World-wide projections for hip fracture. Osteoporosis International. 1997 Sep;7:407-13.
19. Cooley MR, Koval KJ. Hip fracture: epidemiology and risk factors. Techniques in Orthopaedics. 2004 Sep 1;19(3):104-14.
20. Nevitt MC, Cummings SR, Stone KL, Palermo L, Black DM, Bauer DC, Genant HK, Hochberg MC, Ensrud KE, Hillier TA, Cauley JA. Risk factors for a first‐incident radiographic vertebral fracture in women≥ 65 years of age: the study of osteoporotic fractures. Journal of Bone and Mineral Research. 2005 Jan 1; 20(1): 131-40.
21. Van der Voort DJ, Geusens PP, Dinant GJ. Risk factors for osteoporosis related to their outcome: fractures. Osteoporosis International. 2001 Sep; 12:630-8.
22. Devareddy L, Hooshmand S, Collins JK, Lucas EA, Chai SC, Arjmandi BH. Blueberry prevents bone loss in ovariectomized rat model of postmenopausal osteoporosis. The Journal of Nutritional Biochemistry. 2008 Oct 1; 19(10): 694-9.
23. He CC, Hui RR, Tezuka Y, Kadota S, Li JX. Osteoprotective effect of extract from Achyranthes bidentata in ovariectomized rats. Journal of Ethnopharmacology. 2010 Feb 3;127(2):229-34.
24. Mathur ML, Gaur J, Sharma R, Haldiya KR. Antidiabetic properties of a spice plant Nigella sativa. Journal of Endocrinology and Metabolism. 2011; 1(1): 1-8.
25. Hanafy MS, Hatem ME. Studies on the antimicrobial activity of Nigella sativa seed (black cumin). Journal of Ethnopharmacology. 1991 Sep 1; 34(2-3): 275-8.
26. Badary OA, AM GE. Inhibitory effects of thymoquinone against 20-methylcholanthrene-induced fibrosarcoma tumorigenesis. Cancer Detection and Prevention. 2001 Jan 1; 25(4): 362-8.
27. Morsi NM. Antimicrobial effect of crude extracts of Nigella sativa on multiple antibiotics-resistant bacteria. Acta Microbiologica Polonica. 2000 Jan 1; 49(1): 63-74.
28. Burits M, Bucar F. Antioxidant activity of Nigella sativa essential oil. Phytotherapy Research. 2000 Aug; 14(5): 323-8
29. Aljabre SH, Randhawa MA, Akhtar N, Alakloby OM, Alqurashi AM, Aldossary A. Antidermatophyte activity of ether extract of Nigella sativa and its active principle, thymoquinone. Journal of Ethnopharmacology. 2005 Oct 3; 101(1-3): 116-9.
30. Aljabre SH, Randhawa MA, Akhtar N, Alakloby OM, Alqurashi AM, Aldossary A. Antidermatophyte activity of ether extract of Nigella sativa and its active principle, thymoquinone. Journal of Ethnopharmacology. 2005 Oct 3; 101(1-3): 116-9.
31. Boskabady MH, Shirmohammadi B, Jandaghi P, Kiani S. Possible mechanism (s) for relaxant effect of aqueous and macerated extracts from Nigella sativa on tracheal chains of guinea pig. BMC Pharmacology. 2004 Dec;4:1-6.
32. Shuid AN, Ping LL, Muhammad N, Mohamed N, Soelaiman IN. The effects of Labisia pumila var. alata on bone markers and bone calcium in a rat model of post-menopausal osteoporosis. Journal of Ethnopharmacology. 2011 Jan 27; 133(2): 538-42.
33. Ramadan MF. Nutritional value, functional properties and nutraceutical applications of black cumin (Nigella sativa L.): an overview. International Journal of Food Science and Technology. 2007 Oct; 42(10): 1208-18.
34. Troen BR. The regulation of cathepsin K gene expression. Annals of the New York Academy of Sciences. 2006 Apr; 1068(1): 165-72.